Home Nitros 1H-Imidazole-1-acetic acid, 4-nitro-, methyl ester

1H-Imidazole-1-acetic acid, 4-nitro-, methyl ester

CAS No.:
13230-21-2
Catalog Number:
AG0010HU
Molecular Formula:
C6H7N3O4
Molecular Weight:
185.1375
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Product Description
Catalog Number:
AG0010HU
Chemical Name:
1H-Imidazole-1-acetic acid, 4-nitro-, methyl ester
CAS Number:
13230-21-2
Molecular Formula:
C6H7N3O4
Molecular Weight:
185.1375
MDL Number:
MFCD00621268
IUPAC Name:
methyl 2-(4-nitroimidazol-1-yl)acetate
InChI:
InChI=1S/C6H7N3O4/c1-13-6(10)3-8-2-5(7-4-8)9(11)12/h2,4H,3H2,1H3
InChI Key:
LCKCAKPRNOIOBA-UHFFFAOYSA-N
SMILES:
COC(=O)Cn1cnc(c1)[N+](=O)[O-]
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.044g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.139g/mol
Monoisotopic Mass:
185.044g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties